5-nitro-2-(2-pyrrol-1-ylethyl)benzoic acid

Systemtic Name: 5-nitro-2-(2-pyrrol-1-ylethyl)benzoic acid Openeye Name: 5-nitro-2-(2-pyrrol-1-ylethyl)benzoic acid CAS Name: 5-nitro-2-[2-(1-pyrrolyl)ethyl]benzoic acid IUPAC Name: 5-nitro-2-(2-pyrrol-1-ylethyl)benzoic acid Traditional Name: 5-nitro-2-(2-pyrrol-1-ylethyl)benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CN(C=C1)CCC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H12N2O4/c16-13(17)12-9-11(15(18)19)4-3-10(12)5-8-14-6-1-2-7-14/h1-4,6-7,9H,5,8H2,(H,16,17)